3L3I
Crystal structure of HLA-B*4402 in complex with the F7A mutant of a self-peptide derived from DPA*0201
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-20 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.782, 82.329, 110.337 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.940 - 1.700 |
| R-factor | 0.19912 |
| Rwork | 0.197 |
| R-free | 0.24159 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m6o |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.502 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.940 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.006 | 0.286 |
| Number of reflections | 49356 | |
| <I/σ(I)> | 20.4 | 3.9 |
| Completeness [%] | 94.2 | 92.2 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1M tri-sodium citrate dihydrate, 12-30% PEG 4000, 0.2M ammonium acetate , pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
